SCHEMBL1390146

SCHEMBL1390146

Cc1cccc(C(CC(=O)c2ccncc2)c2ccc(N(C)C)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.56
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KCNK3 O14649 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
PLOD1 Q02809 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL369477 0.89 GPBAR1 (0.53) GPBAR1GAAMGAMSIMGAM2
SCHEMBL369701 0.89 GPBAR1 (0.68) GPBAR1GAAALDH1A1L3MBTL1KDM4E
SCHEMBL1390078 0.88 GPBAR1 (0.56) GPBAR1GAAMGAMSIMGAM2
SCHEMBL368623 0.86 GPBAR1 (0.55) GPBAR1GAAALDH1A1L3MBTL1KDM4E
SCHEMBL10240836 0.84 GPBAR1 (0.80) GPBAR1ALDH1A1KCNK3KDM4EROCK2
SCHEMBL364094 0.84 GPBAR1 (0.80) GPBAR1ALDH1A1KCNK3KDM4EROCK2
SCHEMBL364095 0.84 GPBAR1 (0.80) GPBAR1ALDH1A1KCNK3KDM4EROCK2
SCHEMBL361906 0.80 GPBAR1 (0.57) GPBAR1GAAMGAMSIMGAM2
SCHEMBL364286 0.78 GPBAR1 (0.52) GPBAR1GAAALDH1A1L3MBTL1KDM4E
SCHEMBL363621 0.78 GPBAR1 (0.54) GPBAR1ALDH1A1L3MBTL1KDM4EPLOD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885GAA 2696/4885MGAM 2443/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.